4-(3-hydroxycyclobutyl)oxy-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-N-[2-[4-(hydroxymethyl)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide;2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylic acid;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-(methylamino)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;methyl 2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylate

C164H155N13O36S6 — CID 159156350

IUPAC4-(3-hydroxycyclobutyl)oxy-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-N-[2-[4-(hydroxymethyl)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide;2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylic acid;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-(methylamino)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;methyl 2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylate
SMILESCNc1ccc(C(=O)CNC(=O)c2ccc(OCCO)c(OC)c2)nc1-c1csc2c(C)cccc12.COC(=O)c1cc(C(=O)CNC(=O)c2ccc(OCCO)c(OC)c2)nc(-c2csc3c(C)cccc23)c1.COc1cc(C(=O)NCC(=O)c2cc(C(=O)O)cc(-c3csc4c(C)cccc34)n2)ccc1OCCO.COc1cc(C(=O)NCC(=O)c2cc(CO)cc(-c3csc4c(C)cccc34)n2)ccc1OCCO.COc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3csc4c(C)cccc34)n2)ccc1OCCO.COc1cc(C(=O)NCC(=O)c2cccc(-c3csc4c(C)cccc34)n2)ccc1OC1CC(O)C1
InChIInChI=1S/C28H26N2O7S.C28H26N2O5S.C27H27N3O5S.C27H24N2O7S.2C27H26N2O6S/c1-16-5-4-6-19-20(15-38-26(16)19)21-11-18(28(34)36-3)12-22(30-21)23(32)14-29-27(33)17-7-8-24(37-10-9-31)25(13-17)35-2;1-16-5-3-6-20-21(15-36-27(16)20)22-7-4-8-23(30-22)24(32)14-29-28(33)17-9-10-25(26(11-17)34-2)35-19-12-18(31)13-19;1-16-5-4-6-18-19(15-36-26(16)18)25-21(28-2)9-8-20(30-25)22(32)14-29-27(33)17-7-10-23(35-12-11-31)24(13-17)34-3;1-15-4-3-5-18-19(14-37-25(15)18)20-10-17(27(33)34)11-21(29-20)22(31)13-28-26(32)16-6-7-23(36-9-8-30)24(12-16)35-2;1-16-5-4-6-18-19(15-36-26(16)18)25-23(33-2)10-8-20(29-25)21(31)14-28-27(32)17-7-9-22(35-12-11-30)24(13-17)34-3;1-16-4-3-5-19-20(15-36-26(16)19)21-10-17(14-31)11-22(29-21)23(32)13-28-27(33)18-6-7-24(35-9-8-30)25(12-18)34-2/h4-8,11-13,15,31H,9-10,14H2,1-3H3,(H,29,33);3-11,15,18-19,31H,12-14H2,1-2H3,(H,29,33);4-10,13,15,28,31H,11-12,14H2,1-3H3,(H,29,33);3-7,10-12,14,30H,8-9,13H2,1-2H3,(H,28,32)(H,33,34);4-10,13,15,30H,11-12,14H2,1-3H3,(H,28,32);3-7,10-12,15,30-31H,8-9,13-14H2,1-2H3,(H,28,33)
InChIKeyKJYBGSPGAKOIJE-UHFFFAOYSA-N
MW3076.50 g/mol
LogP25.14
Rot. Bonds58

About 4-(3-hydroxycyclobutyl)oxy-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-N-[2-[4-(hydroxymethyl)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide;2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylic acid;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-(methylamino)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;methyl 2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylate

4-(3-hydroxycyclobutyl)oxy-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-N-[2-[4-(hydroxymethyl)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide;2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylic acid;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-(methylamino)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;methyl 2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylate (PubChem CID 159156350) has the molecular formula C164H155N13O36S6 and a molecular weight of 3076.50 g/mol. Its IUPAC name is 4-(3-hydroxycyclobutyl)oxy-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-N-[2-[4-(hydroxymethyl)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide;2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylic acid;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-(methylamino)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;methyl 2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Name4-(3-hydroxycyclobutyl)oxy-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-N-[2-[4-(hydroxymethyl)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide;2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylic acid;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-(methylamino)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;methyl 2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylate
PubChem CID159156350
Molecular FormulaC164H155N13O36S6
Molecular Weight3076.50 g/mol
Exact Mass3073.90
IUPAC Name4-(3-hydroxycyclobutyl)oxy-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-N-[2-[4-(hydroxymethyl)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide;2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylic acid;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-(methylamino)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;methyl 2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylate
SMILESCNc1ccc(C(=O)CNC(=O)c2ccc(OCCO)c(OC)c2)nc1-c1csc2c(C)cccc12.COC(=O)c1cc(C(=O)CNC(=O)c2ccc(OCCO)c(OC)c2)nc(-c2csc3c(C)cccc23)c1.COc1cc(C(=O)NCC(=O)c2cc(C(=O)O)cc(-c3csc4c(C)cccc34)n2)ccc1OCCO.COc1cc(C(=O)NCC(=O)c2cc(CO)cc(-c3csc4c(C)cccc34)n2)ccc1OCCO.COc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3csc4c(C)cccc34)n2)ccc1OCCO.COc1cc(C(=O)NCC(=O)c2cccc(-c3csc4c(C)cccc34)n2)ccc1OC1CC(O)C1
InChIInChI=1S/C28H26N2O7S.C28H26N2O5S.C27H27N3O5S.C27H24N2O7S.2C27H26N2O6S/c1-16-5-4-6-19-20(15-38-26(16)19)21-11-18(28(34)36-3)12-22(30-21)23(32)14-29-27(33)17-7-8-24(37-10-9-31)25(13-17)35-2;1-16-5-3-6-20-21(15-36-27(16)20)22-7-4-8-23(30-22)24(32)14-29-28(33)17-9-10-25(26(11-17)34-2)35-19-12-18(31)13-19;1-16-5-4-6-18-19(15-36-26(16)18)25-21(28-2)9-8-20(30-25)22(32)14-29-27(33)17-7-10-23(35-12-11-31)24(13-17)34-3;1-15-4-3-5-18-19(14-37-25(15)18)20-10-17(27(33)34)11-21(29-20)22(31)13-28-26(32)16-6-7-23(36-9-8-30)24(12-16)35-2;1-16-5-4-6-18-19(15-36-26(16)18)25-23(33-2)10-8-20(29-25)21(31)14-28-27(32)17-7-9-22(35-12-11-30)24(13-17)34-3;1-16-4-3-5-19-20(15-36-26(16)19)21-10-17(14-31)11-22(29-21)23(32)13-28-27(33)18-6-7-24(35-9-8-30)25(12-18)34-2/h4-8,11-13,15,31H,9-10,14H2,1-3H3,(H,29,33);3-11,15,18-19,31H,12-14H2,1-2H3,(H,29,33);4-10,13,15,28,31H,11-12,14H2,1-3H3,(H,29,33);3-7,10-12,14,30H,8-9,13H2,1-2H3,(H,28,32)(H,33,34);4-10,13,15,30H,11-12,14H2,1-3H3,(H,28,32);3-7,10-12,15,30-31H,8-9,13-14H2,1-2H3,(H,28,33)
InChIKeyKJYBGSPGAKOIJE-UHFFFAOYSA-N
XLogP25.14
TPSA691.59 Ų
H-Bond Donors15
H-Bond Acceptors48
Rotatable Bonds58
Heavy Atoms219
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003076.50
LogP ≤ 525.14
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1048

Analyze 4-(3-hydroxycyclobutyl)oxy-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-N-[2-[4-(hydroxymethyl)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide;2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylic acid;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-(methylamino)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;methyl 2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxycyclobutyl)oxy-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-N-[2-[4-(hydroxymethyl)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide;2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylic acid;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-(methylamino)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;methyl 2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylate?
The IUPAC name of 4-(3-hydroxycyclobutyl)oxy-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-N-[2-[4-(hydroxymethyl)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide;2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylic acid;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-(methylamino)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;methyl 2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylate (CID 159156350) is 4-(3-hydroxycyclobutyl)oxy-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-N-[2-[4-(hydroxymethyl)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide;2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylic acid;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-(methylamino)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;methyl 2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylate.
What is the SMILES notation for 4-(3-hydroxycyclobutyl)oxy-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-N-[2-[4-(hydroxymethyl)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide;2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylic acid;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-(methylamino)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;methyl 2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylate?
The canonical SMILES for 4-(3-hydroxycyclobutyl)oxy-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-N-[2-[4-(hydroxymethyl)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide;2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylic acid;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-(methylamino)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;methyl 2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylate is CNc1ccc(C(=O)CNC(=O)c2ccc(OCCO)c(OC)c2)nc1-c1csc2c(C)cccc12.COC(=O)c1cc(C(=O)CNC(=O)c2ccc(OCCO)c(OC)c2)nc(-c2csc3c(C)cccc23)c1.COc1cc(C(=O)NCC(=O)c2cc(C(=O)O)cc(-c3csc4c(C)cccc34)n2)ccc1OCCO.COc1cc(C(=O)NCC(=O)c2cc(CO)cc(-c3csc4c(C)cccc34)n2)ccc1OCCO.COc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3csc4c(C)cccc34)n2)ccc1OCCO.COc1cc(C(=O)NCC(=O)c2cccc(-c3csc4c(C)cccc34)n2)ccc1OC1CC(O)C1.
What is the InChIKey of 4-(3-hydroxycyclobutyl)oxy-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-N-[2-[4-(hydroxymethyl)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide;2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylic acid;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-(methylamino)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;methyl 2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylate?
The InChIKey is KJYBGSPGAKOIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O7S.C28H26N2O5S.C27H27N3O5S.C27H24N2O7S.2C27H26N2O6S/c1-16-5-4-6-19-20(15-38-26(16)19)21-11-18(28(34)36-3)12-22(30-21)23(32)14-29-27(33)17-7-8-24(37-10-9-31)25(13-17)35-2;1-16-5-3-6-20-21(15-36-27(16)20)22-7-4-8-23(30-22)24(32)14-29-28(33)17-9-10-25(26(11-17)34-2)35-19-12-18(31)13-19;1-16-5-4-6-18-19(15-36-26(16)18)25-21(28-2)9-8-20(30-25)22(32)14-29-27(33)17-7-10-23(35-12-11-31)24(13-17)34-3;1-15-4-3-5-18-19(14-37-25(15)18)20-10-17(27(33)34)11-21(29-20)22(31)13-28-26(32)16-6-7-23(36-9-8-30)24(12-16)35-2;1-16-5-4-6-18-19(15-36-26(16)18)25-23(33-2)10-8-20(29-25)21(31)14-28-27(32)17-7-9-22(35-12-11-30)24(13-17)34-3;1-16-4-3-5-19-20(15-36-26(16)19)21-10-17(14-31)11-22(29-21)23(32)13-28-27(33)18-6-7-24(35-9-8-30)25(12-18)34-2/h4-8,11-13,15,31H,9-10,14H2,1-3H3,(H,29,33);3-11,15,18-19,31H,12-14H2,1-2H3,(H,29,33);4-10,13,15,28,31H,11-12,14H2,1-3H3,(H,29,33);3-7,10-12,14,30H,8-9,13H2,1-2H3,(H,28,32)(H,33,34);4-10,13,15,30H,11-12,14H2,1-3H3,(H,28,32);3-7,10-12,15,30-31H,8-9,13-14H2,1-2H3,(H,28,33).
What are the key properties of 4-(3-hydroxycyclobutyl)oxy-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-N-[2-[4-(hydroxymethyl)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide;2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylic acid;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-(methylamino)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;methyl 2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylate?
4-(3-hydroxycyclobutyl)oxy-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-N-[2-[4-(hydroxymethyl)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide;2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylic acid;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-(methylamino)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;methyl 2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylate has a molecular weight of 3076.50 g/mol, XLogP of 25.14, 58 rotatable bonds, 15 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxycyclobutyl)oxy-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-N-[2-[4-(hydroxymethyl)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide;2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylic acid;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-(methylamino)-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;methyl 2-[2-[[4-(2-hydroxyethoxy)-3-methoxybenzoyl]amino]acetyl]-6-(7-methyl-1-benzothiophen-3-yl)pyridine-4-carboxylate is sourced from PubChem (CID 159156350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).